1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine

C14H16ClN3S — CID 55247555

IUPAC1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2cnccn2)c(Cl)c1
InChIInChI=1S/C14H16ClN3S/c1-3-17-10(2)11-4-5-13(12(15)8-11)19-14-9-16-6-7-18-14/h4-10,17H,3H2,1-2H3
InChIKeyYSZWKCWXAICJCE-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.95
Rot. Bonds5

About 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine

1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine (PubChem CID 55247555) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine
PubChem CID55247555
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine
SMILESCCNC(C)c1ccc(Sc2cnccn2)c(Cl)c1
InChIInChI=1S/C14H16ClN3S/c1-3-17-10(2)11-4-5-13(12(15)8-11)19-14-9-16-6-7-18-14/h4-10,17H,3H2,1-2H3
InChIKeyYSZWKCWXAICJCE-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-N-ethylethanamine
CID 102925115
1-(3-chloro-4-propan-2-ylsulfanylphenyl)-N-ethylethanamine
CID 62912102
1-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]-N-ethylethanamine
CID 63533933
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
3-[2-chloro-4-[1-(ethylamino)ethyl]phenyl]sulfanylpropan-1-ol
CID 66114114
3-chloro-4-pyrazin-2-ylsulfanylbenzoic acid
CID 63514210
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864659
(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951642
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
(1S)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 63380539

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine (CID 55247555) is 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine is CCNC(C)c1ccc(Sc2cnccn2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine?
The InChIKey is YSZWKCWXAICJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-3-17-10(2)11-4-5-13(12(15)8-11)19-14-9-16-6-7-18-14/h4-10,17H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine?
1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine has a molecular weight of 293.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyrazin-2-ylsulfanylphenyl)-N-ethylethanamine is sourced from PubChem (CID 55247555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).